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2-(1-((1,3-Dimethyl-1H-pyrazol-4-yl)sulfonyl)piperidin-4-yl)acetic acid

2-(1-((1,3-Dimethyl-1H-pyrazol-4-yl)sulfonyl)piperidin-4-yl)acetic acid - CAS 1171599-18-0

Catalog:	BB052741
Product Name:	2-(1-((1,3-Dimethyl-1H-pyrazol-4-yl)sulfonyl)piperidin-4-yl)acetic acid
CAS:	1171599-18-0
Synonyms:	(1-[(1,3-Dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl)aceticacid

Technical Data

Computed Properties

IUPAC Name:	2-[1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]acetic acid
Molecular Weight:	301.36
Molecular Formula:	C12H19N3O4S
Canonical SMILES:	CC1=NN(C=C1S(=O)(=O)N2CCC(CC2)CC(=O)O)C
InChI:	InChI=1S/C12H19N3O4S/c1-9-11(8-14(2)13-9)20(18,19)15-5-3-10(4-6-15)7-12(16)17/h8,10H,3-7H2,1-2H3,(H,16,17)
InChI Key:	GPNBNSAAZAOGDK-UHFFFAOYSA-N
Boiling Point:	524.5±60.0 °C at 760 mmHg
Density:	1.4±0.1 g/cm3

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Related Functional Groups

Carbonyl Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[55441-25-3]
1-(2-Cyanophenyl)urea
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[927676-51-5]
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid

Piperidines

[13617-02-2]
3-Bromo-1-methylpiperidine Hydrobromide
[362489-61-0]
(3S,4R)-1-tert-Butyl 3-methyl 4-aminopiperidine-1,3-dicarboxylate
[821768-09-6]
1-(3-(Trifluoromethyl)pyridin-2-yl)piperidine-4-carboxylic acid
[874800-64-3]
1-(4-Chloro-2-nitrophenyl)piperidine-4-carboxylic acid
[1005629-22-0]
Ethyl 1-((1-ethyl-3-methyl-1H-pyrazol-4-yl)sulfonyl)piperidine-3-carboxylate
[681428-42-2]
Ethyl 1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperidine-4-carboxylate

Pyrazoles

[890092-87-2]
(4-Acetyl-3,5-dimethyl-1H-pyrazol-1-yl)acetic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[1855911-19-1]
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride

Sulfur Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[6633-90-5]
1,4-Butanedithiol diacetate
[162894-76-0]
2-Hydroxyethane-1-sulfonamide
[42729-26-0]
3-(Trifluoromethylthio)phenyl isothiocyanate
[15863-41-9]
4-(Methylthio)phenyl isothiocyanate
[1879-16-9]
4-Methoxythioanisole

Complexity:	454
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	301.10962727
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	301.10962727
Rotatable Bond Count:	4
Topological Polar Surface Area:	101
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0